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R9X
R9X
Name:[(R)-(decanoylamino)-naphthalen-1-yl-methyl]phosphonic acid
Formula:C21 H30 N O4 P
SMILES:CCCCCCCCCC(=O)N[CH](c1cccc2ccccc12)[P](O)(O)=O
InChi:InChI=1S/C21H30NO4P/c1-2-3-4-5-6-7-8-16-20(23)22-21(27(24,25)26)19-15-11-13-17-12-9-10-14-18(17)19/h9-15,21H,2-8,16H2,1H3,(H,22,23)(H2,24,25,26)/t21-/m1/s1
Definition date:2022-11-28
Last modified:2023-07-28
Release date:2023-08-02
Identifier:[(~{R})-(decanoylamino)-naphthalen-1-yl-methyl]phosphonic acid
TG9
TG9
Name:5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide
Formula:C17 H21 N3 S
SMILES:NC(=N)c1sc(NC2CCCCC2)c(c1)c3ccccc3
InChi:InChI=1S/C17H21N3S/c18-16(19)15-11-14(12-7-3-1-4-8-12)17(21-15)20-13-9-5-2-6-10-13/h1,3-4,7-8,11,13,20H,2,5-6,9-10H2,(H3,18,19)
Definition date:2023-01-05
Last modified:2023-07-28
Release date:2023-08-02
Identifier:5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide
V0R
V0R
Name:3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol
Formula:C17 H16 N2 O3
SMILES:Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)c3cccnc3
InChi:InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3/t17-/m1/s1
Definition date:2023-02-20
Last modified:2023-07-28
Release date:2023-08-02
Identifier:3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol
V2O
V2O
Name:5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione
Formula:C17 H19 F N2 O6 S
SMILES:O=C1CN(c2c(F)c3cc(OCCC(C)(C)O)ccc3cc2O)S(=O)(=O)N1
InChi:InChI=1S/C17H19FN2O6S/c1-17(2,23)5-6-26-11-4-3-10-7-13(21)16(15(18)12(10)8-11)20-9-14(22)19-27(20,24)25/h3-4,7-8,21,23H,5-6,9H2,1-2H3,(H,19,22)
Definition date:2023-05-09
Last modified:2023-07-28
Release date:2023-08-02
Identifier:5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione
TK0
TK0
Name:(3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[6-(4-{2-[(2E)-3-(pyridin-3-yl)prop-2-enamido]ethyl}phenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide
Formula:C37 H34 N6 O2 S2
SMILES:O=C(NCc1ccc2sccc2c1)C1CCCN(C1)c1ncnc2sc(cc12)c1ccc(CCNC(=O)/C=C/c2cccnc2)cc1
InChi:InChI=1S/C37H34N6O2S2/c44-34(12-8-26-3-1-15-38-21-26)39-16-13-25-5-9-28(10-6-25)33-20-31-35(41-24-42-37(31)47-33)43-17-2-4-30(23-43)36(45)40-22-27-7-11-32-29(19-27)14-18-46-32/h1,3,5-12,14-15,18-21,24,30H,2,4,13,16-17,22-23H2,(H,39,44)(H,40,45)/b12-8+/t30-/m0/s1
Definition date:2022-07-25
Last modified:2023-07-28
Release date:2023-08-02
Identifier:(3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[6-(4-{2-[(2E)-3-(pyridin-3-yl)prop-2-enamido]ethyl}phenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide
R4O
R4O
Name:methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
Formula:C12 H13 N5 O6 S2
SMILES:COC(=O)c1sccc1[S](=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2
InChi:InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)
Synonyms:Thifensulfuron-methyl
Definition date:2023-03-31
Last modified:2023-07-28
Release date:2023-08-02
Identifier:methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
RXF
RXF
Name:methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
Formula:C15 H18 N6 O6 S
SMILES:CCOc1nc(NC)nc(NC(=O)N[S](=O)(=O)c2ccccc2C(=O)OC)n1
InChi:InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)
Synonyms:Ethametsulfuron methyl
Definition date:2023-04-03
Last modified:2023-07-28
Release date:2023-08-02
Identifier:methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
RY0
RY0
Name:~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide
Formula:C22 H20 Cl N3 O2 S
SMILES:NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCC3)Oc4ccc(Cl)cc4)c2
InChi:InChI=1S/C22H20ClN3O2S/c23-16-5-7-18(8-6-16)28-22(9-2-10-22)21(27)26-17-4-1-3-14(11-17)15-12-19(20(24)25)29-13-15/h1,3-8,11-13H,2,9-10H2,(H3,24,25)(H,26,27)
Definition date:2022-12-09
Last modified:2023-07-28
Release date:2023-08-02
Identifier:~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide
U0L
U0L
Name:~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranyl-3-fluoranyl-phenoxy)-2-methyl-propanamide
Formula:C21 H19 Cl F N3 O2 S
SMILES:CC(C)(Oc1ccc(Cl)c(F)c1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:InChI=1S/C21H19ClFN3O2S/c1-21(2,28-15-6-7-16(22)17(23)10-15)20(27)26-14-5-3-4-12(8-14)13-9-18(19(24)25)29-11-13/h3-11H,1-2H3,(H3,24,25)(H,26,27)
Definition date:2023-01-18
Last modified:2023-07-28
Release date:2023-08-02
Identifier:~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranyl-3-fluoranyl-phenoxy)-2-methyl-propanamide
RYR
RYR
Name:~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
Formula:C22 H20 F3 N3 O2 S
SMILES:CC(C)(Oc1ccc(cc1)C(F)(F)F)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:InChI=1S/C22H20F3N3O2S/c1-21(2,30-17-8-6-15(7-9-17)22(23,24)25)20(29)28-16-5-3-4-13(10-16)14-11-18(19(26)27)31-12-14/h3-12H,1-2H3,(H3,26,27)(H,28,29)
Definition date:2022-12-09
Last modified:2023-07-28
Release date:2023-08-02
Identifier:~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
RZC
RZC
Name:2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
Formula:C21 H19 Cl2 N3 O2 S
SMILES:CC(C)(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:InChI=1S/C21H19Cl2N3O2S/c1-21(2,28-15-6-7-16(22)17(23)10-15)20(27)26-14-5-3-4-12(8-14)13-9-18(19(24)25)29-11-13/h3-11H,1-2H3,(H3,24,25)(H,26,27)
Definition date:2022-12-09
Last modified:2023-07-28
Release date:2023-08-02
Identifier:2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
RZL
RZL
Name:2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
Formula:C21 H20 Br N3 O2 S
SMILES:CC(C)(Oc1ccc(Br)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:InChI=1S/C21H20BrN3O2S/c1-21(2,27-17-8-6-15(22)7-9-17)20(26)25-16-5-3-4-13(10-16)14-11-18(19(23)24)28-12-14/h3-12H,1-2H3,(H3,23,24)(H,25,26)
Definition date:2022-12-09
Last modified:2023-07-28
Release date:2023-08-02
Identifier:2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
AV8
AV8
Name:2-carboxamido-2-deacetyl-chelocardin
Formula:C21 H20 N2 O7
SMILES:Cc1ccc2c(C)c3C[CH]4[CH](N)C(=C(C(N)=O)C(=O)[C]4(O)C(=O)c3c(O)c2c1O)O
InChi:InChI=1S/C21H20N2O7/c1-6-3-4-8-7(2)9-5-10-14(22)17(26)13(20(23)29)19(28)21(10,30)18(27)12(9)16(25)11(8)15(6)24/h3-4,10,14,24-26,30H,5,22H2,1-2H3,(H2,23,29)/t10-,14+,21-/m1/s1
Synonyms:(4S,4aR,12aR)-4-azanyl-6,9-dimethyl-3,10,11,12a-tetrakis(oxidanyl)-1,12-bis(oxidanylidene)-4a,5-dihydro-4H-tetracene-2-carboxamide
Definition date:2017-08-24
Last modified:2023-07-28
Release date:2023-08-02
Identifier:(4~{S},4~{a}~{R},12~{a}~{R})-4-azanyl-6,9-dimethyl-3,10,11,12~{a}-tetrakis(oxidanyl)-1,12-bis(oxidanylidene)-4~{a},5-dihydro-4~{H}-tetracene-2-carboxamide
9U1
9U1
Name:N-(diaminomethylidene)urea
Formula:C2 H6 N4 O
SMILES:NC(N)=N/C(N)=O
InChi:InChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
Definition date:2023-07-14
Last modified:2023-07-28
Release date:2023-08-02
Identifier:N-(diaminomethylidene)urea
I2L
I2L
Name:2-[4,8-dimethyl-2-oxidanylidene-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-3-yl]ethanoic acid
Formula:C21 H17 F3 O5
SMILES:CC1=C(CC(O)=O)C(=O)Oc2c(C)c(OCc3cccc(c3)C(F)(F)F)ccc12
InChi:InChI=1S/C21H17F3O5/c1-11-15-6-7-17(12(2)19(15)29-20(27)16(11)9-18(25)26)28-10-13-4-3-5-14(8-13)21(22,23)24/h3-8H,9-10H2,1-2H3,(H,25,26)
Definition date:2022-06-01
Last modified:2023-07-28
Release date:2023-08-02
Identifier:2-[4,8-dimethyl-2-oxidanylidene-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-3-yl]ethanoic acid
IY0
IY0
Name:[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate
Formula:C9 H10 N3 O8 P
SMILES:NC1=NC(=O)N(C=C1)c2oc(CO[P](O)(O)=O)c(O)c2O
InChi:InChI=1S/C9H10N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)
Definition date:2022-08-02
Last modified:2023-07-28
Release date:2023-08-02
Identifier:[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate
IY9
IY9
Name:[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-furan-2-yl]methyl dihydrogen phosphate
Formula:C9 H10 N3 O7 P
SMILES:NC1=NC(=O)N(C=C1)c2oc(CO[P](O)(O)=O)c(O)c2
InChi:InChI=1S/C9H10N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-3,13H,4H2,(H2,10,11,14)(H2,15,16,17)
Definition date:2022-08-02
Last modified:2023-07-28
Release date:2023-08-02
Identifier:[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-furan-2-yl]methyl dihydrogen phosphate
IYV
IYV
Name:(2R,3R,4S,5R,6R)-2-[(1R,2R)-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol
Formula:C9 H19 N O5 S
SMILES:CS[CH]1O[CH]([CH](N)[CH](C)O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C9H19NO5S/c1-3(11)4(10)8-6(13)5(12)7(14)9(15-8)16-2/h3-9,11-14H,10H2,1-2H3/t3-,4-,5+,6-,7-,8-,9-/m1/s1
Definition date:2022-08-04
Last modified:2023-07-28
Release date:2023-08-02
Identifier:(2~{R},3~{R},4~{S},5~{R},6~{R})-2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol
IZ8
IZ8
Name:4-azanyl-6-[[4-[4-[(~{E})-(8-azanyl-1-oxidanyl-5,7-disulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-1,3-disulfonic acid
Formula:C34 H28 N6 O14 S4
SMILES:Cc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)[S](O)(=O)=O)[S](O)(=O)=O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)[S](O)(=O)=O)[S](O)(=O)=O)c(C)c4
InChi:InChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+
Definition date:2022-08-04
Last modified:2023-07-28
Release date:2023-08-02
Identifier:4-azanyl-6-[[4-[4-[(~{E})-(8-azanyl-1-oxidanyl-5,7-disulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-1,3-disulfonic acid
IZM
IZM
Name:5-[(~{E})-2-(6-methoxy-1,3-benzoxazol-2-yl)ethenyl]-~{N},~{N}-dimethyl-1,3-thiazol-2-amine
Formula:C15 H15 N3 O2 S
SMILES:COc1ccc2nc(oc2c1)C=Cc3sc(nc3)N(C)C
InChi:InChI=1S/C15H15N3O2S/c1-18(2)15-16-9-11(21-15)5-7-14-17-12-6-4-10(19-3)8-13(12)20-14/h4-9H,1-3H3/b7-5+
Definition date:2022-08-04
Last modified:2023-07-28
Release date:2023-08-02
Identifier:5-[(~{E})-2-(6-methoxy-1,3-benzoxazol-2-yl)ethenyl]-~{N},~{N}-dimethyl-1,3-thiazol-2-amine
IZV
IZV
Name:2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
Formula:C14 H12 N2 O S
SMILES:CNc1ccc(cc1)c2sc3cc(O)ccc3n2
InChi:InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3
Definition date:2022-08-04
Last modified:2023-07-28
Release date:2023-08-02
Identifier:2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
JV6
JV6
Name:5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid
Formula:C12 H14 N6 O7 S
SMILES:COc1cc(OC)nc(NC(=O)N[S](=O)(=O)c2n(C)ncc2C(O)=O)n1
InChi:InChI=1S/C12H14N6O7S/c1-18-9(6(5-13-18)10(19)20)26(22,23)17-12(21)16-11-14-7(24-2)4-8(15-11)25-3/h4-5H,1-3H3,(H,19,20)(H2,14,15,16,17,21)
Definition date:2022-08-29
Last modified:2023-07-28
Release date:2023-08-02
Identifier:5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid
P8F
P8F
Name:Pentacycline
Formula:C29 H30 F N3 O7
SMILES:CN(C)[CH]1[CH]2C[CH]3Cc4cc5ccc(CN6CC(F)C6)cc5c(O)c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O
InChi:InChI=1S/C29H30FN3O7/c1-32(2)22-18-8-15-7-14-6-13-4-3-12(9-33-10-16(30)11-33)5-17(13)23(34)19(14)24(35)20(15)26(37)29(18,40)27(38)21(25(22)36)28(31)39/h3-6,15-16,18,22,34,36-37,40H,7-11H2,1-2H3,(H2,31,39)/t15-,18-,22-,29-/m0/s1
Synonyms:(4S,4aS,5aR,14aS)-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14a-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-pentacene-2-carboxamide
Definition date:2023-02-09
Last modified:2023-07-25
Release date:2023-07-26
Identifier:(4~{S},4~{a}~{S},5~{a}~{R},14~{a}~{S})-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14~{a}-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4~{a},5,5~{a},6-tetrahydro-4~{H}-pentacene-2-carboxamide
WX8
WX8
Name:3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide
Formula:C36 H39 N11 O8
SMILES:CCc1nc(C)oc1C(=O)Nc1nc2cc(cnc2n1CC=CCn1c2c(OCCCO)cc(cc2nc1NC(=O)c1oc(C)nc1CC)C(N)=O)C(N)=O
InChi:InChI=1S/C36H39N11O8/c1-5-22-28(54-18(3)40-22)33(51)44-35-42-24-14-20(30(37)49)16-26(53-13-9-12-48)27(24)46(35)10-7-8-11-47-32-25(15-21(17-39-32)31(38)50)43-36(47)45-34(52)29-23(6-2)41-19(4)55-29/h7-8,14-17,48H,5-6,9-13H2,1-4H3,(H2,37,49)(H2,38,50)(H,42,44,51)(H,43,45,52)/b8-7+
Definition date:2023-05-21
Last modified:2023-07-21
Release date:2023-07-26
Identifier:3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide
ZHO
ZHO
Name:~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
Formula:C26 H29 N9
SMILES:CNc1nc(cn2c(C)nnc12)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(C)CC6
InChi:InChI=1S/C26H29N9/c1-18-30-31-26-24(27-2)28-22(17-34(18)26)25-29-21-10-9-20(33-13-11-32(3)12-14-33)15-23(21)35(25)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28)
Definition date:2023-06-23
Last modified:2023-07-21
Release date:2023-07-26
Identifier:~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

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